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Chlorine in PDB 4l0v: Tankyrase 2 in Complex with 4'-Chloro Flavone

Enzymatic activity of Tankyrase 2 in Complex with 4'-Chloro Flavone

All present enzymatic activity of Tankyrase 2 in Complex with 4'-Chloro Flavone:
2.4.2.30;

Protein crystallography data

The structure of Tankyrase 2 in Complex with 4'-Chloro Flavone, PDB code: 4l0v was solved by M.Narwal, T.Haikarainen, L.Lehtio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.90 / 1.70
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 91.100, 97.800, 118.300, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 20.6

Other elements in 4l0v:

The structure of Tankyrase 2 in Complex with 4'-Chloro Flavone also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Tankyrase 2 in Complex with 4'-Chloro Flavone (pdb code 4l0v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Tankyrase 2 in Complex with 4'-Chloro Flavone, PDB code: 4l0v:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4l0v

Go back to Chlorine Binding Sites List in 4l0v
Chlorine binding site 1 out of 2 in the Tankyrase 2 in Complex with 4'-Chloro Flavone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tankyrase 2 in Complex with 4'-Chloro Flavone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1201

b:47.4
occ:1.00
CL1 A:1V11201 0.0 47.4 1.0
CAK A:1V11201 1.7 28.1 1.0
CAM A:1V11201 2.7 28.4 1.0
CAL A:1V11201 2.7 27.7 1.0
CE2 A:PHE1035 3.7 30.2 1.0
O A:HOH1339 3.7 35.4 1.0
CAI A:1V11201 4.0 23.1 1.0
CAJ A:1V11201 4.0 23.4 1.0
O A:ALA1049 4.0 25.1 1.0
CD1 A:ILE1075 4.2 26.8 1.0
CG1 A:ILE1075 4.4 24.4 1.0
CZ A:PHE1035 4.4 31.5 1.0
CAG A:1V11201 4.5 22.5 1.0
CD2 A:PHE1035 4.6 29.3 1.0
C A:ALA1049 4.8 24.5 1.0
O A:HIS1048 4.8 23.5 1.0
O A:HOH1370 4.8 33.0 1.0
CA A:TYR1050 4.9 23.4 1.0
CD A:PRO1034 5.0 21.4 1.0

Chlorine binding site 2 out of 2 in 4l0v

Go back to Chlorine Binding Sites List in 4l0v
Chlorine binding site 2 out of 2 in the Tankyrase 2 in Complex with 4'-Chloro Flavone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tankyrase 2 in Complex with 4'-Chloro Flavone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1201

b:48.3
occ:1.00
CL1 B:1V11201 0.0 48.3 1.0
CAK B:1V11201 1.7 28.1 1.0
CAM B:1V11201 2.7 24.5 1.0
CAL B:1V11201 2.7 25.8 1.0
CE2 B:PHE1035 3.7 33.5 1.0
CAI B:1V11201 4.0 22.6 1.0
CAJ B:1V11201 4.0 23.1 1.0
O B:ALA1049 4.0 29.9 1.0
O B:HOH1414 4.0 41.7 1.0
CD1 B:ILE1075 4.2 28.6 1.0
CG1 B:ILE1075 4.3 26.8 1.0
CZ B:PHE1035 4.4 34.9 1.0
CAG B:1V11201 4.5 21.5 1.0
CD2 B:PHE1035 4.5 29.5 1.0
O B:HOH1321 4.7 29.4 1.0
C B:ALA1049 4.9 28.2 1.0
CD B:PRO1034 4.9 22.7 1.0
O B:HIS1048 4.9 28.5 1.0
CA B:TYR1050 5.0 27.7 1.0

Reference:

M.Narwal, J.Koivunen, T.Haikarainen, E.Obaji, O.E.Legala, H.Venkannagari, P.Joensuu, T.Pihlajaniemi, L.Lehtio. Discovery of Tankyrase Inhibiting Flavones with Increased Potency and Isoenzyme Selectivity. J.Med.Chem. V. 56 7880 2013.
ISSN: ISSN 0022-2623
PubMed: 24116873
DOI: 10.1021/JM401463Y
Page generated: Sat Dec 12 10:51:51 2020

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